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CHEBI:220374 - (+)-(2R,4S,5R,8S)-4-deacetyl-5-hydroxy-botryenalol

ChEBI IDCHEBI:220374
ChEBI Name(+)-(2R,4S,5R,8S)-4-deacetyl-5-hydroxy-botryenalol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESC[C@@H]1C[C@H](O)[C@]2(O)C(=C1C=O)[C@@](C)(CO)CC2(C)C
InChIInChI=1S/C15H24O4/c1-9-5-11(18)15(19)12(10(9)6-16)14(4,8-17)7-13(15,2)3/h6,9,11,17-19H,5,7-8H2,1-4H3/t9-,11+,14-,15+/m1/s1
InChIKeyJKGZOQASNFGTHB-QFEPDWEUSA-N
Species of MetaboliteComponentSourceComments
Nemania bipapillata (ncbitaxon:110536) - PubMed (31444403)
ChEBI Ontology
Outgoing Relation(s)
(+)-(2R,4S,5R,8S)-4-deacetyl-5-hydroxy-botryenalol (CHEBI:220374) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,5R,7S,7aR)-7,7a-dihydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,5,6,7-tetrahydroindene-4-carbaldehyde
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77089227ChemSpider